*************************************************
******************* ORCA 6.1.1 ******************
*************************************************
$Calculation_Status
   &GeometryIndex 1
   &version [&Type "String"] "6.1.1"
   &progName [&Type "String"] "LeanSCF"
   &Status [&Type "String"] "NORMAL TERMINATION"
$End
$Geometry
   &GeometryIndex 1
   &NAtoms [&Type "Integer"] 17
   &NCorelessECP [&Type "Integer"] 0
   &NGhostAtoms [&Type "Integer"] 0
   &CartesianCoordinates [&Type "Coordinates", &Dim(17,4), &Units "Bohr"] 
              Si     0.000000000000    0.000000000000    0.000000000000
              C      2.051143717219    2.051143717219    2.051143717219
              H      3.820753688533    1.074351707297    2.447552698010
              H      2.447552698010    3.820753688533    1.074351707297
              H      1.074351707297    2.447552698010    3.820753688533
              C      2.051143717219   -2.051143717219   -2.051143717219
              H      1.074351707297   -3.820753688533   -2.447552698010
              H      2.447552698010   -1.074351707297   -3.820753688533
              H      3.820753688533   -2.447552698010   -1.074351707297
              C     -2.051143717219    2.051143717219   -2.051143717219
              H     -1.074351707297    3.820753688533   -2.447552698010
              H     -2.447552698010    1.074351707297   -3.820753688533
              H     -3.820753688533    2.447552698010   -1.074351707297
              C     -2.051143717219   -2.051143717219    2.051143717219
              H     -3.820753688533   -1.074351707297    2.447552698010
              H     -2.447552698010   -3.820753688533    1.074351707297
              H     -1.074351707297   -2.447552698010    3.820753688533
$End
$SCF_Mulliken_Population_Analysis
   &GeometryIndex 1
   &NAtoms [&Type "Integer"] 17
   &ATNO [&Type "ArrayOfIntegers", &Dim (17,1)] 
                                                         0

0                                                       14
1                                                        6
2                                                        1
3                                                        1
4                                                        1
5                                                        6
6                                                        1
7                                                        1
8                                                        1
9                                                        6
10                                                       1
11                                                       1
12                                                       1
13                                                       6
14                                                       1
15                                                       1
16                                                       1
   &AtomicCharges [&Type "ArrayOfDoubles", &Dim (17,1)] 
                                                         0

0                                      4.1464294806662494e-01
1                                     -4.9466871736913909e-01
2                                      1.2920774217319431e-01
3                                      1.2841743958575402e-01
4                                      1.3338279719555657e-01
5                                     -4.9466871237322518e-01
6                                      1.2920774198192975e-01
7                                      1.3338279646073659e-01
8                                      1.2841743920173199e-01
9                                     -4.9466871343118335e-01
10                                     1.2920774246581368e-01
11                                     1.3338279687619203e-01
12                                     1.2841743899497315e-01
13                                    -4.9466871970731763e-01
14                                     1.2920774223841458e-01
15                                     1.2841743995274713e-01
16                                     1.3338279768728545e-01
   &Method [&Type "String"] "SCF"
   &Level [&Type "String"] "Relaxed density"
   &Mult [&Type "Integer"] 1
   &State [&Type "Integer"] -1
   &Irrep [&Type "Integer"] 0
$End
$SCF_Loewdin_Population_Analysis
   &GeometryIndex 1
   &NAtoms [&Type "Integer"] 17
   &ATNO [&Type "ArrayOfIntegers", &Dim (17,1)] 
                                                         0

0                                                       14
1                                                        6
2                                                        1
3                                                        1
4                                                        1
5                                                        6
6                                                        1
7                                                        1
8                                                        1
9                                                        6
10                                                       1
11                                                       1
12                                                       1
13                                                       6
14                                                       1
15                                                       1
16                                                       1
   &AtomicCharges [&Type "ArrayOfDoubles", &Dim (17,1)] 
                                                         0

0                                      1.9940087139005414e-01
1                                     -4.3121279671576218e-01
2                                      1.2695966582227669e-01
3                                      1.2649778069146855e-01
4                                      1.2790513231833289e-01
5                                     -4.3121279664257006e-01
6                                      1.2695966588959251e-01
7                                      1.2790513230304856e-01
8                                      1.2649778064568651e-01
9                                     -4.3121279672794888e-01
10                                     1.2695966594843444e-01
11                                     1.2790513232120948e-01
12                                     1.2649778064166972e-01
13                                    -4.3121279677775970e-01
14                                     1.2695966583461182e-01
15                                     1.2649778073246409e-01
16                                     1.2790513232530798e-01
   &Method [&Type "String"] "SCF"
   &Level [&Type "String"] "Relaxed density"
   &Mult [&Type "Integer"] 1
   &State [&Type "Integer"] -1
   &Irrep [&Type "Integer"] 0
$End
$SCF_Mayer_Population_Analysis
   &GeometryIndex 1
   &NAtoms [&Type "Integer"] 17 "Total number of atoms"
   &NBondOrdersPrint [&Type "Integer"] 16 "The number of bond orders larger than threshold"
   &bondThresh [&Type "Double"]       1.0000000000000001e-01  "The threshold for printing"
   &components [&Type "ArrayOfIntegers", &Dim (16,4)] "The indices and atomic numbers of the bonding atoms"
                                                         0                           1                           2                           3

0                                                        0                          14                           1                           6
1                                                        0                          14                           5                           6
2                                                        0                          14                           9                           6
3                                                        0                          14                          13                           6
4                                                        1                           6                           2                           1
5                                                        1                           6                           3                           1
6                                                        1                           6                           4                           1
7                                                        5                           6                           6                           1
8                                                        5                           6                           7                           1
9                                                        5                           6                           8                           1
10                                                       9                           6                          10                           1
11                                                       9                           6                          11                           1
12                                                       9                           6                          12                           1
13                                                      13                           6                          14                           1
14                                                      13                           6                          15                           1
15                                                      13                           6                          16                           1
   &BondOrders [&Type "ArrayOfDoubles", &Dim (16,1)] "The bond orders"
                                                         0

0                                      9.8808383036590375e-01
1                                      9.8808383642609587e-01
2                                      9.8808383323019178e-01
3                                      9.8808382903813619e-01
4                                      9.5145292195835429e-01
5                                      9.5100668491731200e-01
6                                      9.5229931883826047e-01
7                                      9.5145292210138510e-01
8                                      9.5229932055690603e-01
9                                      9.5100668503783115e-01
10                                     9.5145292196782238e-01
11                                     9.5229932166287401e-01
12                                     9.5100668400089361e-01
13                                     9.5145292144540383e-01
14                                     9.5100668448028713e-01
15                                     9.5229931935466550e-01
   &ATNO [&Type "ArrayOfIntegers", &Dim (17,1)] "Atomic number of the elements"
                                                         0

0                                                       14
1                                                        6
2                                                        1
3                                                        1
4                                                        1
5                                                        6
6                                                        1
7                                                        1
8                                                        1
9                                                        6
10                                                       1
11                                                       1
12                                                       1
13                                                       6
14                                                       1
15                                                       1
16                                                       1
   &NA [&Type "ArrayOfDoubles", &Dim (17,1)] "Mulliken gross atomic population"
                                                         0

0                                      1.3585357051933336e+01
1                                      6.4946687173691560e+00
2                                      8.7079225782680614e-01
3                                      8.7158256041424620e-01
4                                      8.6661720280444365e-01
5                                      6.4946687123732092e+00
6                                      8.7079225801807036e-01
7                                      8.6661720353926219e-01
8                                      8.7158256079826901e-01
9                                      6.4946687134311869e+00
10                                     8.7079225753418510e-01
11                                     8.6661720312380730e-01
12                                     8.7158256100502440e-01
13                                     6.4946687197073247e+00
14                                     8.7079225776158464e-01
15                                     8.7158256004725165e-01
16                                     8.6661720231271400e-01
   &ZA [&Type "ArrayOfDoubles", &Dim (17,1)] "Total nuclear charge"
                                                         0

0                                      1.4000000000000000e+01
1                                      6.0000000000000000e+00
2                                      1.0000000000000000e+00
3                                      1.0000000000000000e+00
4                                      1.0000000000000000e+00
5                                      6.0000000000000000e+00
6                                      1.0000000000000000e+00
7                                      1.0000000000000000e+00
8                                      1.0000000000000000e+00
9                                      6.0000000000000000e+00
10                                     1.0000000000000000e+00
11                                     1.0000000000000000e+00
12                                     1.0000000000000000e+00
13                                     6.0000000000000000e+00
14                                     1.0000000000000000e+00
15                                     1.0000000000000000e+00
16                                     1.0000000000000000e+00
   &QA [&Type "ArrayOfDoubles", &Dim (17,1)] "Mulliken gross atomic charge"
                                                         0

0                                      4.1464294806666402e-01
1                                     -4.9466871736915596e-01
2                                      1.2920774217319386e-01
3                                      1.2841743958575380e-01
4                                      1.3338279719555635e-01
5                                     -4.9466871237320920e-01
6                                      1.2920774198192964e-01
7                                      1.3338279646073781e-01
8                                      1.2841743920173099e-01
9                                     -4.9466871343118690e-01
10                                     1.2920774246581490e-01
11                                     1.3338279687619270e-01
12                                     1.2841743899497560e-01
13                                    -4.9466871970732473e-01
14                                     1.2920774223841536e-01
15                                     1.2841743995274835e-01
16                                     1.3338279768728600e-01
   &VA [&Type "ArrayOfDoubles", &Dim (17,1)] "Mayer's total valence"
                                                         0

0                                      4.1184313529023768e+00
1                                      3.8291573286969549e+00
2                                      9.7446045468461873e-01
3                                      9.7456518489298061e-01
4                                      9.7008305904848091e-01
5                                      3.8291573384936348e+00
6                                      9.7446045525025826e-01
7                                      9.7008306026291435e-01
8                                      9.7456518494451350e-01
9                                      3.8291573340308780e+00
10                                     9.7446045516398194e-01
11                                     9.7008306057813620e-01
12                                     9.7456518474536502e-01
13                                     3.8291573284963056e+00
14                                     9.7446045411871718e-01
15                                     9.7456518425736394e-01
16                                     9.7008305885146062e-01
   &BVA [&Type "ArrayOfDoubles", &Dim (17,1)] "Mayer's bonded valence"
                                                         0

0                                      4.1184313529023813e+00
1                                      3.8291573286969673e+00
2                                      9.7446045468463349e-01
3                                      9.7456518489298238e-01
4                                      9.7008305904849190e-01
5                                      3.8291573384936286e+00
6                                      9.7446045525024461e-01
7                                      9.7008306026290914e-01
8                                      9.7456518494451960e-01
9                                      3.8291573340308349e+00
10                                     9.7446045516397628e-01
11                                     9.7008306057813165e-01
12                                     9.7456518474536891e-01
13                                     3.8291573284962510e+00
14                                     9.7446045411870208e-01
15                                     9.7456518425735539e-01
16                                     9.7008305885145996e-01
   &FA [&Type "ArrayOfDoubles", &Dim (17,1)] "Mayer's free valence"
                                                         0

0                                      0.0000000000000000e+00
1                                      0.0000000000000000e+00
2                                      0.0000000000000000e+00
3                                      0.0000000000000000e+00
4                                      0.0000000000000000e+00
5                                      0.0000000000000000e+00
6                                      0.0000000000000000e+00
7                                      0.0000000000000000e+00
8                                      0.0000000000000000e+00
9                                      0.0000000000000000e+00
10                                     0.0000000000000000e+00
11                                     0.0000000000000000e+00
12                                     0.0000000000000000e+00
13                                     0.0000000000000000e+00
14                                     0.0000000000000000e+00
15                                     0.0000000000000000e+00
16                                     0.0000000000000000e+00
   &Method [&Type "String"] "SCF"
   &Level [&Type "String"] "Relaxed density"
   &Mult [&Type "Integer"] 1
   &State [&Type "Integer"] -1
   &Irrep [&Type "Integer"] 0
$End
$SCF_Energy
   &GeometryIndex 1
   &Method [&Type "String"] "SCF"
   &totalEnergy [&Type "ArrayOfDoubles", &Dim (1,1)] "Total energy of each state"
                                                         0

0                                     -4.4892573016487700e+02
   &Mult [&Type "ArrayOfIntegers", &Dim (1,1)] "Multiplicity of each state"
                                                         0

0                                                        1
$End
$DFT_Energy
   &GeometryIndex 1
   &nAlphaEl [&Type "Integer"] 25
   &nBetaEl [&Type "Integer"] 25
   &nTotalEl [&Type "Integer"] 50
   &finalEn [&Type "Double"]      -4.4892573016487700e+02  "No Van der Waals correction"
   &eExchange [&Type "Double"]      -3.3862037529883104e+01
   &eCorr [&Type "Double"]      -1.6695220736253291e+00
   &eXC [&Type "Double"]      -3.5531559603508434e+01
   &eCNL [&Type "Double"]       0.0000000000000000e+00
$End
$SCF_Timings
   &GeometryIndex 1
   &TOTAL [&Type "Double"]       1.4717433000000000e+02
   &PREP [&Type "Double"]       4.6309999999999997e-02
   &FOCK [&Type "Double"]       1.3857726199999999e+02
   &DENS [&Type "Double"]       1.5440999999981386e-02
   &ETOT [&Type "Double"]       2.5759999999817040e-03
   &POP [&Type "Double"]       7.1729999999945449e-03
   &TRAFO [&Type "Double"]       2.1211000000015190e-02
   &DIIS [&Type "Double"]       8.9704000000006445e-02
   &SOSCF [&Type "Double"]       4.3874000000016622e-02
   &J [&Type "Double"]       1.3496657900000002e+02
   &XC [&Type "Double"]       1.2009498999999963e+01
   &FOCKSTART [&Type "Double"]       2.2219999999952000e-03
   &INT_PREP [&Type "Double"]       9.9999999747524271e-07
   &INT_BF [&Type "Double"]       4.0370040000001186e+00
   &INT_DENS [&Type "Double"]       3.0255360000004625e+00
   &INT_DENSIO [&Type "Double"]       1.2004692119789924e+06
   &INT_FUNC [&Type "Double"]       4.4760999999821216e-01
   &INT_POT [&Type "Double"]       4.3015749999995734e+00
   &INT_POTIO [&Type "Double"]       4.5380000000299958e-02
   &INT_SUM [&Type "Double"]       9.9999999925159955e-07
$End
$Single_Point_Data
   &GeometryIndex 1
   &FinalEnergy [&Type "Double"]      -4.4892573016487700e+02  "Final single point energy"
   &Converged [&Type "Boolean"] true
$End
$Calculation_Info
   &GeometryIndex 1
   &Mult [&Type "Integer"] 1
   &Charge [&Type "Integer"] 0
   &NumOfAtoms [&Type "Integer"] 17
   &NumOfElectrons [&Type "Integer"] 50
   &NumOfBasisFuncts [&Type "Integer"] 233
   &NumOfAuxCBasisFuncts [&Type "Integer"] 0
   &NumOfAuxJBasisFuncts [&Type "Integer"] 0
   &NumOfAuxJKBasisFuncts [&Type "Integer"] 0
   &NumOfCABSBasisFuncts [&Type "Integer"] 0
$End
$SCF_Dipole_Moment
   &GeometryIndex 1
   &dipoleMagnitude [&Type "Double", &Units "a.u."]       8.7638822646925771e-10
   &dipoleElecContrib [&Type "ArrayOfDoubles", &Dim (3,1)] "Electronic contribution"
                                                         0

0                                      7.4710217179418947e-11
1                                      9.4771930971362939e-11
2                                     -8.6804114915982333e-10
   &dipoleNucContrib [&Type "ArrayOfDoubles", &Dim (3,1)] "Nuclear contribution"
                                                         0

0                                      0.0000000000000000e+00
1                                      0.0000000000000000e+00
2                                      0.0000000000000000e+00
   &dipoleTotal [&Type "ArrayOfDoubles", &Dim (3,1)] "Total"
                                                         0

0                                      7.4712215580863273e-11
1                                      9.4773707328202339e-11
2                                     -8.6803937280298393e-10
   &doAtomicDipole [&Type "Boolean"] false
   &Method [&Type "String"] "SCF"
   &Level [&Type "String"] "Relaxed density"
   &Mult [&Type "Integer"] 1
   &State [&Type "Integer"] -1
   &Irrep [&Type "Integer"] 0
$End
$SCF_Chemical_Shift
   &GeometryIndex 1
   &numOfNucs [&Type "Integer"] 16
   &Method [&Type "String"] "SCF"
   &Level [&Type "String"] "Relaxed density"
   &Mult [&Type "Integer"] 1
   &State [&Type "Integer"] -1
   &Irrep [&Type "Integer"] 0
   &NUC [&Type "Integer"] 2 "Index of the nuclei"
   &NUC [&Type "Integer"] 3 "Index of the nuclei"
   &NUC [&Type "Integer"] 4 "Index of the nuclei"
   &NUC [&Type "Integer"] 6 "Index of the nuclei"
   &NUC [&Type "Integer"] 7 "Index of the nuclei"
   &NUC [&Type "Integer"] 8 "Index of the nuclei"
   &NUC [&Type "Integer"] 10 "Index of the nuclei"
   &NUC [&Type "Integer"] 11 "Index of the nuclei"
   &NUC [&Type "Integer"] 12 "Index of the nuclei"
   &NUC [&Type "Integer"] 14 "Index of the nuclei"
   &NUC [&Type "Integer"] 15 "Index of the nuclei"
   &NUC [&Type "Integer"] 16 "Index of the nuclei"
   &NUC [&Type "Integer"] 1 "Index of the nuclei"
   &NUC [&Type "Integer"] 5 "Index of the nuclei"
   &NUC [&Type "Integer"] 9 "Index of the nuclei"
   &NUC [&Type "Integer"] 13 "Index of the nuclei"
   &Elems [&Type "Integer"] 1 "Atomic number of the nuclei"
   &Elems [&Type "Integer"] 1 "Atomic number of the nuclei"
   &Elems [&Type "Integer"] 1 "Atomic number of the nuclei"
   &Elems [&Type "Integer"] 1 "Atomic number of the nuclei"
   &Elems [&Type "Integer"] 1 "Atomic number of the nuclei"
   &Elems [&Type "Integer"] 1 "Atomic number of the nuclei"
   &Elems [&Type "Integer"] 1 "Atomic number of the nuclei"
   &Elems [&Type "Integer"] 1 "Atomic number of the nuclei"
   &Elems [&Type "Integer"] 1 "Atomic number of the nuclei"
   &Elems [&Type "Integer"] 1 "Atomic number of the nuclei"
   &Elems [&Type "Integer"] 1 "Atomic number of the nuclei"
   &Elems [&Type "Integer"] 1 "Atomic number of the nuclei"
   &Elems [&Type "Integer"] 6 "Atomic number of the nuclei"
   &Elems [&Type "Integer"] 6 "Atomic number of the nuclei"
   &Elems [&Type "Integer"] 6 "Atomic number of the nuclei"
   &Elems [&Type "Integer"] 6 "Atomic number of the nuclei"
   &SDSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Diamagnetic contribution"
                                                         0                           1                           2

0                                      3.8693999286999897e+01        -2.3526915471211920e+00         5.4211806627843275e+00
1                                     -3.4853963413116036e+00         2.7750726318840449e+01        -6.2694551279924571e-01
2                                      4.8945524865145300e+00         4.0097167659505345e-01         2.7370887034151430e+01
   &SDSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Diamagnetic contribution"
                                                         0                           1                           2

0                                      2.7526363107928162e+01         5.1975309989699952e+00        -2.0436478319992002e-01
1                                      5.9986015610818173e+00         3.8679439694394873e+01        -2.0482276542989690e+00
2                                     -9.9045006916663880e-01        -3.1044427111987014e+00         2.7500998701432021e+01
   &SDSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Diamagnetic contribution"
                                                         0                           1                           2

0                                      2.7169979164544991e+01        -4.0871482328165920e-01        -4.1034010888732162e+00
1                                     -2.8871329527617284e-01         2.7410668660953579e+01         6.1310543400216275e+00
2                                     -3.0229151272542927e+00         6.4348980714544686e+00         3.8838580085900560e+01
   &SDSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Diamagnetic contribution"
                                                         0                           1                           2

0                                      2.7750726238783205e+01         3.4853963360740945e+00         6.2694550479029010e-01
1                                      2.3526914983267799e+00         3.8693999218996943e+01         5.4211806695801714e+00
2                                     -4.0097168030530250e-01         4.8945525009521704e+00         2.7370887013669982e+01
   &SDSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Diamagnetic contribution"
                                                         0                           1                           2

0                                      2.7410668593507303e+01         2.8871327907928074e-01        -6.1310543321598914e+00
1                                      4.0871485470207819e-01         2.7169979108340506e+01        -4.1034010127004388e+00
2                                     -6.4348981276089727e+00        -3.0229150744357884e+00         3.8838580028279765e+01
   &SDSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Diamagnetic contribution"
                                                         0                           1                           2

0                                      3.8679439621035257e+01        -5.9986016232197663e+00         2.0482276069430054e+00
1                                     -5.1975310271277833e+00         2.7526363021309361e+01        -2.0436472803873257e-01
2                                      3.1044426844093227e+00        -9.9044999898907182e-01         2.7500998582845423e+01
   &SDSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Diamagnetic contribution"
                                                         0                           1                           2

0                                      2.7750726229381186e+01         3.4853963555353089e+00        -6.2694550887965106e-01
1                                      2.3526914880283871e+00         3.8693999196616467e+01        -5.4211806420165267e+00
2                                      4.0097169490245577e-01        -4.8945525293187968e+00         2.7370887041849919e+01
   &SDSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Diamagnetic contribution"
                                                         0                           1                           2

0                                      2.7410668607105972e+01         2.8871328811752117e-01         6.1310543179575605e+00
1                                      4.0871485714102368e-01         2.7169979131543478e+01         4.1034009999950110e+00
2                                      6.4348981291484098e+00         3.0229150950990218e+00         3.8838580045711083e+01
   &SDSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Diamagnetic contribution"
                                                         0                           1                           2

0                                      3.8679439608635533e+01        -5.9986016332015373e+00        -2.0482276048597039e+00
1                                     -5.1975310311167551e+00         2.7526362971454610e+01         2.0436472875981970e-01
2                                     -3.1044426761061903e+00         9.9044996667371488e-01         2.7500998583564620e+01
   &SDSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Diamagnetic contribution"
                                                         0                           1                           2

0                                      3.8693999284236085e+01        -2.3526915524621868e+00        -5.4211806752072613e+00
1                                     -3.4853963450547196e+00         2.7750726314878900e+01         6.2694551170014834e-01
2                                     -4.8945525009483113e+00        -4.0097169222670054e-01         2.7370887037864563e+01
   &SDSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Diamagnetic contribution"
                                                         0                           1                           2

0                                      2.7526363102627673e+01         5.1975309768639546e+00         2.0436479161368040e-01
1                                      5.9986015597531219e+00         3.8679439697113615e+01         2.0482276506323149e+00
2                                      9.9045007627393322e-01         3.1044427013162652e+00         2.7500998712374546e+01
   &SDSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Diamagnetic contribution"
                                                         0                           1                           2

0                                      2.7169979166002111e+01        -4.0871481095318080e-01         4.1034010830324261e+00
1                                     -2.8871330466197270e-01         2.7410668667457568e+01        -6.1310543385002996e+00
2                                      3.0229151327844184e+00        -6.4348980526671467e+00         3.8838580100438797e+01
   &SDSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Diamagnetic contribution"
                                                         0                           1                           2

0                                      2.4831499484648339e+02         5.5605905877709665e+00         4.8809482813928593e+00
1                                      5.2725891989208904e+00         2.4848377361878707e+02         6.0625276152519865e+00
2                                      5.1873144811378511e+00         6.1284677494551980e+00         2.4826457810407337e+02
   &SDSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Diamagnetic contribution"
                                                         0                           1                           2

0                                      2.4848377327932721e+02        -5.2725892871754212e+00        -6.0625276642557555e+00
1                                     -5.5605907063944118e+00         2.4831499451865528e+02         4.8809484476576550e+00
2                                     -6.1284680462164340e+00         5.1873147216608153e+00         2.4826457788035523e+02
   &SDSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Diamagnetic contribution"
                                                         0                           1                           2

0                                      2.4848377320824835e+02        -5.2725892143988373e+00         6.0625276297064001e+00
1                                     -5.5605906535026071e+00         2.4831499441319838e+02        -4.8809483369290554e+00
2                                      6.1284681988871794e+00        -5.1873148471964301e+00         2.4826457802331319e+02
   &SDSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Diamagnetic contribution"
                                                         0                           1                           2

0                                      2.4831499480855882e+02         5.5605905054820672e+00        -4.8809482382731098e+00
1                                      5.2725891812380388e+00         2.4848377365581806e+02        -6.0625276357063287e+00
2                                     -5.1873145166732124e+00        -6.1284677748635490e+00         2.4826457819033294e+02
   &SPSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Paramagnetic contribution"
                                                         0                           1                           2

0                                     -2.8162880869962148e+00        -1.8574705328161070e-01        -2.6873347594170247e+00
1                                      1.4600068076835115e+00         1.9115642051903454e+00         1.1106930896774263e+00
2                                     -1.5188528750517480e+00        -4.0403965545032933e-01         2.2874206228875713e+00
   &SPSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Paramagnetic contribution"
                                                         0                           1                           2

0                                      2.0048237641432376e+00        -2.0880198495412006e+00         5.0711781471937811e-01
1                                     -3.2587059454893637e+00        -2.5891060305670832e+00        -6.2809755645438026e-01
2                                      1.4975870331062535e+00         1.0702842862536923e+00         2.1421220009864794e+00
   &SPSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Paramagnetic contribution"
                                                         0                           1                           2

0                                      2.3085451120394027e+00         7.7163867626770954e-01         2.2583400377609473e+00
1                                      6.1838753896936016e-01         2.2230442557543171e+00        -2.9197245771251561e+00
2                                      7.2971353966098274e-01        -3.6991804641236414e+00        -3.0907334225749219e+00
   &SPSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Paramagnetic contribution"
                                                         0                           1                           2

0                                      1.9115642847560772e+00        -1.4600068037246208e+00        -1.1106930790414073e+00
1                                      1.8574710058239802e-01        -2.8162880266654051e+00        -2.6873347622430241e+00
2                                      4.0403966158517718e-01        -1.5188528903171554e+00         2.2874206416704550e+00
   &SPSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Paramagnetic contribution"
                                                         0                           1                           2

0                                      2.2230443181163047e+00        -6.1838752840194511e-01         2.9197245702410775e+00
1                                     -7.7163871345570634e-01         2.3085451650167141e+00         2.2583399620029216e+00
2                                      3.6991805214130835e+00         7.2971348774622358e-01        -3.0907333635895102e+00
   &SPSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Paramagnetic contribution"
                                                         0                           1                           2

0                                     -2.5891059558521783e+00         3.2587060082624579e+00         6.2809760184164765e-01
1                                      2.0880198819695317e+00         2.0048238576173953e+00         5.0711775814781290e-01
2                                     -1.0702842523142888e+00         1.4975869581952017e+00         2.1421221234567347e+00
   &SPSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Paramagnetic contribution"
                                                         0                           1                           2

0                                      1.9115642921094882e+00        -1.4600068246213198e+00         1.1106930847426713e+00
1                                      1.8574711005343636e-01        -2.8162880061391364e+00         2.6873347350326653e+00
2                                     -4.0403967388656287e-01         1.5188529158898421e+00         2.2874206077178107e+00
   &SPSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Paramagnetic contribution"
                                                         0                           1                           2

0                                      2.2230443051051116e+00        -6.1838753682178982e-01        -2.9197245567213947e+00
1                                     -7.7163871389736549e-01         2.3085451413832709e+00        -2.2583399516901523e+00
2                                     -3.6991805198747976e+00        -7.2971350695695480e-01        -3.0907333775423034e+00
   &SPSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Paramagnetic contribution"
                                                         0                           1                           2

0                                     -2.5891059421728015e+00         3.2587060190507189e+00        -6.2809760338331766e-01
1                                      2.0880198834134718e+00         2.0048239059335877e+00        -5.0711776015599019e-01
2                                      1.0702842445969405e+00        -1.4975869271509978e+00         2.1421221235922414e+00
   &SPSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Paramagnetic contribution"
                                                         0                           1                           2

0                                     -2.8162880848997278e+00        -1.8574704664665445e-01         2.6873347704859381e+00
1                                      1.4600068094054703e+00         1.9115642093422602e+00        -1.1106930913917377e+00
2                                      1.5188528909577790e+00         4.0403967342843777e-01         2.2874206201421652e+00
   &SPSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Paramagnetic contribution"
                                                         0                           1                           2

0                                      2.0048237702844589e+00        -2.0880198283767251e+00        -5.0711782277997974e-01
1                                     -3.2587059405725975e+00        -2.5891060308383502e+00         6.2809756286541729e-01
2                                     -1.4975870382565073e+00        -1.0702842764098148e+00         2.1421219906580466e+00
   &SPSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Paramagnetic contribution"
                                                         0                           1                           2

0                                      2.3085451079446622e+00         7.7163866422193750e-01        -2.2583400323281966e+00
1                                      6.1838754968947074e-01         2.2230442493210218e+00         2.9197245752457683e+00
2                                     -7.2971354635592311e-01         3.6991804445924434e+00        -3.0907334344964483e+00
   &SPSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Paramagnetic contribution"
                                                         0                           1                           2

0                                     -6.2352835196760502e+01        -1.9629293893629645e+00         1.4507889427369702e+00
1                                     -1.5398332925160123e+00        -6.0024251153769825e+01        -4.0755859591626917e+00
2                                      2.2058676125943362e+00        -4.8695258642977493e+00        -6.2536462226933040e+01
   &SPSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Paramagnetic contribution"
                                                         0                           1                           2

0                                     -6.0024250706652900e+01         1.5398333488133060e+00         4.0755860751212065e+00
1                                      1.9629294901160648e+00        -6.2352834916947749e+01         1.4507887722545283e+00
2                                      4.8695261952774542e+00         2.2058674080849352e+00        -6.2536461950116475e+01
   &SPSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Paramagnetic contribution"
                                                         0                           1                           2

0                                     -6.0024250634509237e+01         1.5398332951042886e+00        -4.0755860327466369e+00
1                                      1.9629294779935649e+00        -6.2352834769720666e+01        -1.4507888478885247e+00
2                                     -4.8695263529633026e+00        -2.2058673113686820e+00        -6.2536462017440883e+01
   &SPSO [&Type "ArrayOfDoubles", &Dim (3,3)] "Paramagnetic contribution"
                                                         0                           1                           2

0                                     -6.2352835130862545e+01        -1.9629293591039814e+00        -1.4507889327252503e+00
1                                     -1.5398333042532861e+00        -6.0024251104665893e+01         4.0755859844023696e+00
2                                     -2.2058676035260940e+00         4.8695258800044368e+00        -6.2536462260309278e+01
   &STot [&Type "ArrayOfDoubles", &Dim (3,3)] "Total tensor"
                                                         0                           1                           2

0                                      3.5877711200003681e+01        -2.5384386004028028e+00         2.7338459033673028e+00
1                                     -2.0253895336280920e+00         2.9662290524030794e+01         4.8374757687818060e-01
2                                      3.3756996114627817e+00        -3.0679788552758769e-03         2.9658307657039000e+01
   &STot [&Type "ArrayOfDoubles", &Dim (3,3)] "Total tensor"
                                                         0                           1                           2

0                                      2.9531186872071402e+01         3.1095111494287946e+00         3.0275303151945809e-01
1                                      2.7398956155924536e+00         3.6090333663827792e+01        -2.6763252107533493e+00
2                                      5.0713696393961472e-01        -2.0341584249450091e+00         2.9643120702418500e+01
   &STot [&Type "ArrayOfDoubles", &Dim (3,3)] "Total tensor"
                                                         0                           1                           2

0                                      2.9478524276584395e+01         3.6292385298605034e-01        -1.8450610511122689e+00
1                                      3.2967424369318732e-01         2.9633712916707896e+01         3.2113297628964714e+00
2                                     -2.2932015875933098e+00         2.7357176073308271e+00         3.5747846663325639e+01
   &STot [&Type "ArrayOfDoubles", &Dim (3,3)] "Total tensor"
                                                         0                           1                           2

0                                      2.9662290523539284e+01         2.0253895323494735e+00        -4.8374757425111725e-01
1                                      2.5384385989091780e+00         3.5877711192331539e+01         2.7338459073371473e+00
2                                      3.0679812798746764e-03         3.3756996106350150e+00         2.9658307655340437e+01
   &STot [&Type "ArrayOfDoubles", &Dim (3,3)] "Total tensor"
                                                         0                           1                           2

0                                      2.9633712911623608e+01        -3.2967424932266437e-01        -3.2113297619188139e+00
1                                     -3.6292385875362815e-01         2.9478524273357220e+01        -1.8450610506975171e+00
2                                     -2.7357176061958892e+00        -2.2932015866895648e+00         3.5747846664690258e+01
   &STot [&Type "ArrayOfDoubles", &Dim (3,3)] "Total tensor"
                                                         0                           1                           2

0                                      3.6090333665183081e+01        -2.7398956149573084e+00         2.6763252087846530e+00
1                                     -3.1095111451582516e+00         2.9531186878926757e+01         3.0275303010908033e-01
2                                      2.0341584320950341e+00         5.0713695920612989e-01         2.9643120706302156e+01
   &STot [&Type "ArrayOfDoubles", &Dim (3,3)] "Total tensor"
                                                         0                           1                           2

0                                      2.9662290521490675e+01         2.0253895309139889e+00         4.8374757586302020e-01
1                                      2.5384385980818234e+00         3.5877711190477328e+01        -2.7338459069838614e+00
2                                     -3.0679789841071003e-03        -3.3756996134289547e+00         2.9658307649567728e+01
   &STot [&Type "ArrayOfDoubles", &Dim (3,3)] "Total tensor"
                                                         0                           1                           2

0                                      2.9633712912211085e+01        -3.2967424870426865e-01         3.2113297612361658e+00
1                                     -3.6292385675634181e-01         2.9478524272926748e+01         1.8450610483048586e+00
2                                      2.7357176092736122e+00         2.2932015881420669e+00         3.5747846668168776e+01
   &STot [&Type "ArrayOfDoubles", &Dim (3,3)] "Total tensor"
                                                         0                           1                           2

0                                      3.6090333666462733e+01        -2.7398956141508184e+00        -2.6763252082430213e+00
1                                     -3.1095111477032833e+00         2.9531186877388198e+01        -3.0275303139617049e-01
2                                     -2.0341584315092498e+00        -5.0713696047728296e-01         2.9643120707156861e+01
   &STot [&Type "ArrayOfDoubles", &Dim (3,3)] "Total tensor"
                                                         0                           1                           2

0                                      3.5877711199336360e+01        -2.5384385991088414e+00        -2.7338459047213233e+00
1                                     -2.0253895356492491e+00         2.9662290524221159e+01        -4.8374757969158932e-01
2                                     -3.3756996099905323e+00         3.0679812017372354e-03         2.9658307658006727e+01
   &STot [&Type "ArrayOfDoubles", &Dim (3,3)] "Total tensor"
                                                         0                           1                           2

0                                      2.9531186872912134e+01         3.1095111484872295e+00        -3.0275303116629937e-01
1                                      2.7398956191805244e+00         3.6090333666275264e+01         2.6763252134977322e+00
2                                     -5.0713696198257407e-01         2.0341584249064502e+00         2.9643120703032594e+01
   &STot [&Type "ArrayOfDoubles", &Dim (3,3)] "Total tensor"
                                                         0                           1                           2

0                                      2.9478524273946775e+01         3.6292385326875670e-01         1.8450610507042295e+00
1                                      3.2967424502749804e-01         2.9633712916778588e+01        -3.2113297632545312e+00
2                                      2.2932015864284954e+00        -2.7357176080747032e+00         3.5747846665942347e+01
   &STot [&Type "ArrayOfDoubles", &Dim (3,3)] "Total tensor"
                                                         0                           1                           2

0                                      1.8596215964972288e+02         3.5976611984080020e+00         6.3317372241298298e+00
1                                      3.7327559064048783e+00         1.8845952246501724e+02         1.9869416560892947e+00
2                                      7.3931820937321877e+00         1.2589418851574488e+00         1.8572811587714034e+02
   &STot [&Type "ArrayOfDoubles", &Dim (3,3)] "Total tensor"
                                                         0                           1                           2

0                                      1.8845952257267430e+02        -3.7327559383621152e+00        -1.9869415891345490e+00
1                                     -3.5976612162783468e+00         1.8596215960170753e+02         6.3317372199121831e+00
2                                     -1.2589418509389798e+00         7.3931821297457505e+00         1.8572811593023874e+02
   &STot [&Type "ArrayOfDoubles", &Dim (3,3)] "Total tensor"
                                                         0                           1                           2

0                                      1.8845952257373912e+02        -3.7327559192945490e+00         1.9869415969597632e+00
1                                     -3.5976611755090424e+00         1.8596215964347772e+02        -6.3317371848175803e+00
2                                      1.2589418459238768e+00        -7.3931821585651125e+00         1.8572811600587232e+02
   &STot [&Type "ArrayOfDoubles", &Dim (3,3)] "Total tensor"
                                                         0                           1                           2

0                                      1.8596215967769626e+02         3.5976611463780861e+00        -6.3317371709983599e+00
1                                      3.7327558769847524e+00         1.8845952255115216e+02        -1.9869416513039591e+00
2                                     -7.3931821201993060e+00        -1.2589418948591122e+00         1.8572811593002365e+02
   &orientation [&Type "ArrayOfDoubles", &Dim (3,3)] "Eigenvectors"
                                                         0                           1                           2

0                                     -4.1943609927480807e-01        -8.8363899566118453e-03        -9.0774185583659639e-01
1                                     -5.6555156327063305e-01         7.8472696817515897e-01         2.5368290186917597e-01
2                                      7.1008787337010371e-01         6.1977859242729350e-01        -3.3414025268076586e-01
   &orientation [&Type "ArrayOfDoubles", &Dim (3,3)] "Eigenvectors"
                                                         0                           1                           2

0                                     -7.0618815056456952e-01         6.3602024341129082e-01        -3.1108928939009695e-01
1                                      4.0259246051712078e-01        -7.2103149688486357e-04        -9.1537904217234034e-01
2                                      5.8242390639203989e-01         7.7167203531333384e-01         2.5554777083436570e-01
   &orientation [&Type "ArrayOfDoubles", &Dim (3,3)] "Eigenvectors"
                                                         0                           1                           2

0                                     -5.8346910567624932e-01         7.7960656955171359e-01        -2.2754647752309240e-01
1                                      7.0367611061936186e-01         6.2518330180475068e-01         3.3761778757659988e-01
2                                     -4.0546730332415937e-01        -3.6870528289126930e-02         9.1336566066319513e-01
   &orientation [&Type "ArrayOfDoubles", &Dim (3,3)] "Eigenvectors"
                                                         0                           1                           2

0                                      5.6555156248080374e-01        -7.8472696872523751e-01        -2.5368290192841630e-01
1                                     -4.1943609963511608e-01        -8.8363897726423113e-03        -9.0774185567190158e-01
2                                      7.1008787378633853e-01         6.1977859173344041e-01        -3.3414025308320844e-01
   &orientation [&Type "ArrayOfDoubles", &Dim (3,3)] "Eigenvectors"
                                                         0                           1                           2

0                                      7.0367611067912661e-01         6.2518330193189753e-01        -3.3761778721659141e-01
1                                      5.8346910593691270e-01        -7.7960656944597939e-01        -2.2754647721696647e-01
2                                      4.0546730284534366e-01         3.6870528368891937e-02         9.1336566087253412e-01
   &orientation [&Type "ArrayOfDoubles", &Dim (3,3)] "Eigenvectors"
                                                         0                           1                           2

0                                      4.0259246072393606e-01         7.2103158754122099e-04        -9.1537904208130960e-01
1                                      7.0618814991415402e-01         6.3602024414911384e-01         3.1108928935809754e-01
2                                     -5.8242390703770941e-01         7.7167203470512746e-01        -2.5554777119939520e-01
   &orientation [&Type "ArrayOfDoubles", &Dim (3,3)] "Eigenvectors"
                                                         0                           1                           2

0                                     -5.6555156184566480e-01        -7.8472696924091911e-01        -2.5368290174919439e-01
1                                      4.1943609948735500e-01        -8.8363895052670817e-03        -9.0774185574277955e-01
2                                      7.1008787437947618e-01        -6.1977859108432687e-01         3.3414025302672506e-01
   &orientation [&Type "ArrayOfDoubles", &Dim (3,3)] "Eigenvectors"
                                                         0                           1                           2

0                                      7.0367611074617509e-01         6.2518330181366144e-01         3.3761778729578995e-01
1                                      5.8346910585012324e-01        -7.7960656953766883e-01         2.2754647712536802e-01
2                                     -4.0546730285387339e-01        -3.6870528434999168e-02         9.1336566086607918e-01
   &orientation [&Type "ArrayOfDoubles", &Dim (3,3)] "Eigenvectors"
                                                         0                           1                           2

0                                      4.0259246062172638e-01        -7.2103143165280770e-04        -9.1537904212638510e-01
1                                      7.0618815027368775e-01        -6.3602024377175626e-01         3.1108928931344215e-01
2                                      5.8242390667242583e-01         7.7167203501629511e-01         2.5554777109229365e-01
   &orientation [&Type "ArrayOfDoubles", &Dim (3,3)] "Eigenvectors"
                                                         0                           1                           2

0                                      4.1943609932575721e-01        -8.8363900775534354e-03        -9.0774185581187739e-01
1                                      5.6555156348083102e-01         7.8472696801306585e-01         2.5368290190197818e-01
2                                      7.1008787317259647e-01        -6.1977859263080248e-01         3.3414025272301534e-01
   &orientation [&Type "ArrayOfDoubles", &Dim (3,3)] "Eigenvectors"
                                                         0                           1                           2

0                                     -7.0618815053620732e-01        -6.3602024340009822e-01        -3.1108928947736314e-01
1                                      4.0259246064934279e-01         7.2103146520539896e-04        -9.1537904211421195e-01
2                                     -5.8242390633503160e-01         7.7167203532258821e-01        -2.5554777093634790e-01
   &orientation [&Type "ArrayOfDoubles", &Dim (3,3)] "Eigenvectors"
                                                         0                           1                           2

0                                     -5.8346910607254232e-01         7.7960656932744188e-01         2.2754647727531360e-01
1                                      7.0367611039094746e-01         6.2518330206327077e-01        -3.3761778757395433e-01
2                                      4.0546730315029716e-01         3.6870528647709830e-02         9.1336566072590208e-01
   &orientation [&Type "ArrayOfDoubles", &Dim (3,3)] "Eigenvectors"
                                                         0                           1                           2

0                                     -7.2105115182149104e-01         2.5145943858994879e-01         6.4564184127186874e-01
1                                      1.5951214084400500e-01        -8.4654858792030807e-01         5.0784974669039107e-01
2                                      6.7427080122178151e-01         4.6917335712309988e-01         5.7029400100788086e-01
   &orientation [&Type "ArrayOfDoubles", &Dim (3,3)] "Eigenvectors"
                                                         0                           1                           2

0                                     -1.5951214557734739e-01         8.4654858503391928e-01        -5.0784975001508070e-01
1                                     -7.2105115432422939e-01         2.5145943633082513e-01         6.4564183935668229e-01
2                                      6.7427079742563911e-01         4.6917336354193451e-01         5.7029400021545029e-01
   &orientation [&Type "ArrayOfDoubles", &Dim (3,3)] "Eigenvectors"
                                                         0                           1                           2

0                                      1.5951214464016530e-01         8.4654858736671879e-01        -5.0784974642083736e-01
1                                      7.2105115487485738e-01         2.5145943381098923e-01         6.4564183972314915e-01
2                                      6.7427079705851889e-01        -4.6917336068330967e-01        -5.7029400300125876e-01
   &orientation [&Type "ArrayOfDoubles", &Dim (3,3)] "Eigenvectors"
                                                         0                           1                           2

0                                      7.2105115194630698e-01         2.5145944158950140e-01         6.4564183996423252e-01
1                                     -1.5951213727470037e-01        -8.4654858797620725e-01         5.0784974771830571e-01
2                                      6.7427080193269573e-01        -4.6917335541459049e-01        -5.7029400157291976e-01
   &sTotEigen [&Type "ArrayOfDoubles", &Dim (3,1)] "Eigenvalues"
                                                         0

0                                      2.7658459838167772e+01
1                                      2.9893214505312386e+01
2                                      3.7646635037593299e+01
   &sTotEigen [&Type "ArrayOfDoubles", &Dim (3,1)] "Eigenvalues"
                                                         0

0                                      2.7531626068718879e+01
1                                      2.9995276043350536e+01
2                                      3.7737739126248307e+01
   &sTotEigen [&Type "ArrayOfDoubles", &Dim (3,1)] "Eigenvalues"
                                                         0

0                                      2.7625887200104845e+01
1                                      2.9867141271282193e+01
2                                      3.7367055385230913e+01
   &sTotEigen [&Type "ArrayOfDoubles", &Dim (3,1)] "Eigenvalues"
                                                         0

0                                      2.7658459837539759e+01
1                                      2.9893214501846117e+01
2                                      3.7646635031825433e+01
   &sTotEigen [&Type "ArrayOfDoubles", &Dim (3,1)] "Eigenvalues"
                                                         0

0                                      2.7625887192954309e+01
1                                      2.9867141272902266e+01
2                                      3.7367055383814517e+01
   &sTotEigen [&Type "ArrayOfDoubles", &Dim (3,1)] "Eigenvalues"
                                                         0

0                                      2.7531626076380984e+01
1                                      2.9995276045456727e+01
2                                      3.7737739128574304e+01
   &sTotEigen [&Type "ArrayOfDoubles", &Dim (3,1)] "Eigenvalues"
                                                         0

0                                      2.7658459831888162e+01
1                                      2.9893214500231785e+01
2                                      3.7646635029415812e+01
   &sTotEigen [&Type "ArrayOfDoubles", &Dim (3,1)] "Eigenvalues"
                                                         0

0                                      2.7625887194284395e+01
1                                      2.9867141271508746e+01
2                                      3.7367055387513481e+01
   &sTotEigen [&Type "ArrayOfDoubles", &Dim (3,1)] "Eigenvalues"
                                                         0

0                                      2.7531626074829454e+01
1                                      2.9995276046590142e+01
2                                      3.7737739129588171e+01
   &sTotEigen [&Type "ArrayOfDoubles", &Dim (3,1)] "Eigenvalues"
                                                         0

0                                      2.7658459838274339e+01
1                                      2.9893214506032521e+01
2                                      3.7646635037257411e+01
   &sTotEigen [&Type "ArrayOfDoubles", &Dim (3,1)] "Eigenvalues"
                                                         0

0                                      2.7531626069309262e+01
1                                      2.9995276042924601e+01
2                                      3.7737739129986068e+01
   &sTotEigen [&Type "ArrayOfDoubles", &Dim (3,1)] "Eigenvalues"
                                                         0

0                                      2.7625887199064437e+01
1                                      2.9867141270418955e+01
2                                      3.7367055387184308e+01
   &sTotEigen [&Type "ArrayOfDoubles", &Dim (3,1)] "Eigenvalues"
                                                         0

0                                      1.7875245506769812e+02
1                                      1.8646996305603813e+02
2                                      1.9492737986814410e+02
   &sTotEigen [&Type "ArrayOfDoubles", &Dim (3,1)] "Eigenvalues"
                                                         0

0                                      1.7875245503736801e+02
1                                      1.8646996317525935e+02
2                                      1.9492737989199304e+02
   &sTotEigen [&Type "ArrayOfDoubles", &Dim (3,1)] "Eigenvalues"
                                                         0

0                                      1.7875245510370900e+02
1                                      1.8646996320623271e+02
2                                      1.9492737991314812e+02
   &sTotEigen [&Type "ArrayOfDoubles", &Dim (3,1)] "Eigenvalues"
                                                         0

0                                      1.7875245513135468e+02
1                                      1.8646996314333884e+02
2                                      1.9492737988417841e+02
   &siso [&Type "Double"]       3.1732769793691162e+01
   &siso [&Type "Double"]       3.1754880412772565e+01
   &siso [&Type "Double"]       3.1620027952205977e+01
   &siso [&Type "Double"]       3.1732769790403754e+01
   &siso [&Type "Double"]       3.1620027949890360e+01
   &siso [&Type "Double"]       3.1754880416803999e+01
   &siso [&Type "Double"]       3.1732769787178576e+01
   &siso [&Type "Double"]       3.1620027951102202e+01
   &siso [&Type "Double"]       3.1754880417002596e+01
   &siso [&Type "Double"]       3.1732769793854750e+01
   &siso [&Type "Double"]       3.1754880414073330e+01
   &siso [&Type "Double"]       3.1620027952222571e+01
   &siso [&Type "Double"]       1.8671659933062679e+02
   &siso [&Type "Double"]       1.8671659936820686e+02
   &siso [&Type "Double"]       1.8671659940769638e+02
   &siso [&Type "Double"]       1.8671659938629068e+02
   &saniso [&Type "Double"]       8.8707978658532198e+00
   &saniso [&Type "Double"]       8.9742880702135999e+00
   &saniso [&Type "Double"]       8.6205411495373951e+00
   &saniso [&Type "Double"]       8.8707978621324948e+00
   &saniso [&Type "Double"]       8.6205411508862291e+00
   &saniso [&Type "Double"]       8.9742880676554506e+00
   &saniso [&Type "Double"]       8.8707978633558398e+00
   &saniso [&Type "Double"]       8.6205411546169088e+00
   &saniso [&Type "Double"]       8.9742880688783728e+00
   &saniso [&Type "Double"]       8.8707978651039809e+00
   &saniso [&Type "Double"]       8.9742880738691362e+00
   &saniso [&Type "Double"]       8.6205411524426125e+00
   &saniso [&Type "Double"]       1.2316170806275977e+01
   &saniso [&Type "Double"]       1.2316170785679361e+01
   &saniso [&Type "Double"]       1.2316170758177265e+01
   &saniso [&Type "Double"]       1.2316170746831659e+01
$End
$Calculation_Timings
   &GeometryIndex 1
   &GTOINT [&Type "Double"]       7.4556000000000000e-01
   &SCF [&Type "Double"]       1.4796217999999999e+02
   &PROPINT [&Type "Double"]       1.6910139099999998e+02
   &RESPONSE [&Type "Double"]       9.0196097000000009e+01
   &PROP [&Type "Double"]       1.5404990000000112e+00
   &SUM [&Type "Double"]       4.0954572700000000e+02
$End
